Bisnafide Dimesylate
TL;DR: Bisnafide Dimesylate (CAS 145124-30-7) is a chemical compound with molecular formula C34H36N6O14S2 and molecular weight 816.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione
Also Known As: BISNAFIDE DIMESYLATE, Bisnafide mesylate, Versaluma, Bisnafide dimesilate, Bisnafide mesilate
| Molecular Formula | C34H36N6O14S2 |
|---|---|
| Molecular Weight | 816.17 g/mol |
| LogP | 2.67 |
| Topological Polar Surface Area | 316.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 816.1731 |
| Heavy Atoms | 56 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 145124-30-7 |
|---|---|
| SMILES | C[C@H](CNCCNC[C@@H](C)N1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])N4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-].CS(=O)(=O)O.CS(=O)(=O)O |
| InChIKey | KPQJSSLKKBKWEW-RKDOVGOJSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bisnafide Dimesylate (CAS 145124-30-7), with molecular formula C34H36N6O14S2 and molecular weight 816.17 g/mol. IUPAC: methanesulfonic acid;5-nitro-2-[(2R)-1-[2-[[(2R)-2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethylamino]propan-2-yl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of Bisnafide Dimesylate
Property Insights of Bisnafide Dimesylate
The XLogP value of 2.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bisnafide Dimesylate. The TPSA of 316.0 Ų indicates high polarity, suggesting Bisnafide Dimesylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bisnafide Dimesylate has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bisnafide Dimesylate?
The CAS number of Bisnafide Dimesylate is 145124-30-7.
What is the molecular formula of Bisnafide Dimesylate?
The molecular formula of Bisnafide Dimesylate is C34H36N6O14S2.
What is the molecular weight of Bisnafide Dimesylate?
The molecular weight of Bisnafide Dimesylate is 816.17 g/mol.
Where can I buy Bisnafide Dimesylate?
You can request a quote for Bisnafide Dimesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisnafide Dimesylate?
Yes, KEHONG BIO provides custom synthesis services for Bisnafide Dimesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.